A new function for local structure characterization

A mixed radial, angular, three-body distribution function as a tool for local structure characterization: Application to single-component structures
Sergey V. Sukhomlinov and Martin H. Müser,
J. Chem. Phys. 152, 07964 (2020)

DOI: 10.1063/5.0007964
accepted version, supplementary material
g3.tar (tar ball with code, readme file, and example)

Contact-mechanics-modeling challenge

Martin H. Müser, Wolf B. Dapp, Romain Bugnicourt et al,
Meeting the contact-mechanics challenge
Tribol. Lett. 65, 188 (2017).
DOI: 10.1007/s11249-017-0900-2.
(submitted version)

Selected as one of 250 articles by Springer-Nature as a potential change-the-world article.

See also: Robert W. Carpick’s Perspective in
DOI: Science 359, 38 (2017) .

The crucial role of chemical detail for slip boundary conditions

L.-T. Kong, C. Denniston, and M. H. Müser,
The crucial role of chemical detail for slip boundary conditions: Molecular dynamics simulations of linear oligomers between sliding aluminium surfaces ,
Model. Simul. Mater. Sc. Eng.18, 034004 (2010); doi (10.1088/0965-0393/18/3/034004); (accepted version).

Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials

D. Shakhvorostov, R. A. Nistor, L. Krusin-Elbaum, G. J. Martyna, D. M. Newns, B. G. Elmegreen, X. Liu, Z. E. Hughes, S. Paul, C. Cabral Jr., S. Raoux, D. B. Shrekenhamer, D. N. Basov, Y. Song, and M. H. Müser,
Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials,
Proc. Natl. Acad. Sci. USA 106, 10907-10911 (2009).
DOI information: 10.1073/pnas.0812942106.

Molecular mechanisms for the functionality of lubricant additives

N. J. Mosey, M. H. Müser, and T. K. Woo,
Molecular mechanisms for the functionality of lubricant additives,
Science 307, 1612-1615 (2005); (full version / abstract only).
In the science media: